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Computer Science Machine Learning

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Tuesday 28 April

Machine Learning · Cross-listed from cs.DB

Mining Negative Sequential Patterns to Improve Viral Genomic Feature Representation and Classification

Viruses represent the most abundant biological entities on Earth and play a pivotal role in microbial ecosystems, yet, as prominent human pathogens, they are closely linked to human morbidity and mortality. Accurate identification of viral sequences from viral genome sequences is therefore essential, but existing genome-based classification models that largely relying on composition- or frequency-based subsequence features often suffer from limited interpretability and reduced accuracy, particularly on complex or imbalanced datasets. To address these limitations, we propose GeneNSPCla (Genomic Negative Sequential Pattern-based Classification), a novel viral classification framework based on Negative Sequential Patterns (NSPs) that extracts discriminative absence-based features from nucleotide sequences of RNA viral genomes. By transforming these NSPs into numerical feature vectors and integrating them into multiple supervised classifiers, GeneNSPCla effectively captures both presence and absence signals in viral sequences. Furthermore, we propose a negative pattern mining algorithm adapted for processing genomic data: GONPM+, which can discover longer and more biologically meaningful negative sequential patterns. The experimental results demonstrate that the average accuracy of GONPM+ in 8 classifiers has improved by 10.03% compared to the original negative pattern mining algorithm and by 24.75% compared to the positive pattern mining algorithm. These findings highlight the effectiveness of incorporating absence-based sequential information, providing a new and complementary perspective for viral genome analysis and classification.
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Machine Learning · Cross-listed from stat.ML

Adversarial Robustness of NTK Neural Networks

Deep learning models are widely deployed in safety-critical domains, but remain vulnerable to adversarial attacks. In this paper, we study the adversarial robustness of NTK neural networks in the context of nonparametric regression. We establish minimax optimal rates for adversarial regression in Sobolev spaces and then show that NTK neural networks, trained via gradient flow with early stopping, can achieve this optimal rate. However, in the overfitting regime, we prove that the minimum norm interpolant is vulnerable to adversarial perturbations.
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Machine Learning · Cross-listed from cs.AI

Recursive Multi-Agent Systems

Recursive or looped language models have recently emerged as a new scaling axis by iteratively refining the same model computation over latent states to deepen reasoning. We extend such scaling principle from a single model to multi-agent systems, and ask: Can agent collaboration itself be scaled through recursion? To this end, we introduce RecursiveMAS, a recursive multi-agent framework that casts the entire system as a unified latent-space recursive computation. RecursiveMAS connects heterogeneous agents as a collaboration loop through the lightweight RecursiveLink module, enabling in-distribution latent thoughts generation and cross-agent latent state transfer. To optimize our framework, we develop an inner-outer loop learning algorithm for iterative whole-system co-optimization through shared gradient-based credit assignment across recursion rounds. Theoretical analyses of runtime complexity and learning dynamics establish that RecursiveMAS is more efficient than standard text-based MAS and maintains stable gradients during recursive training. Empirically, we instantiate RecursiveMAS under 4 representative agent collaboration patterns and evaluate across 9 benchmarks spanning mathematics, science, medicine, search, and code generation. In comparison with advanced single/multi-agent and recursive computation baselines, RecursiveMAS consistently delivers an average accuracy improvement of 8.3%, together with 1.2$\times$-2.4$\times$ end-to-end inference speedup, and 34.6%-75.6% token usage reduction. Code and Data are provided in https://recursivemas.github.io.
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All authors Jiaru Zou, Rui Pan, Ruizhong Qiu, Pan Lu, Shizhe Diao, Jindong Jiang, Hanghang Tong, Tong Zhang, Markus J. Buehler, Jingrui He, James Zou

Machine Learning

How Fast Should a Model Commit to Supervision? Training Reasoning Models on the Tsallis Loss Continuum

The standard recipe for training reasoning models—SFT on rationale annotations followed by RLVR—relies on rationale annotations being available and clean. When no annotated rationales exist, SFT cannot start at all, and when the model is too unaligned, RLVR alone stalls at cold start; when annotations are weak, SFT memorizes the errors. Using the Tsallis $q$-logarithm, we define a loss family $J_Q$ that interpolates between RLVR (at $q{=}0$, the exploitation pole) and the log-marginal-likelihood over latent trajectories (at $q{=}1$, the density-estimation pole). The standard pipeline corresponds to a stepwise $q{=}1 \to q{=}0$ schedule, and intermediate $q$ enables training in regimes where the two-step pipeline cannot apply. All members share the same gradient direction, differing only by a per-instance amplification $P_{\theta}^{-q}$ that reweights each instance independently of the learning rate. Under gradient flow analysis, we show that the exploitation pole requires $\Omega(\frac{1}{p_0})$ time to escape cold start but is robust to label noise, while the density-estimation pole escapes in $\Theta\big(\log(\frac{1}{p_0})\big)$ but memorizes label noise. This separation explains why SFT ($q{=}1$) precedes RLVR ($q{=}0$) in the standard pipeline. We further derive two Monte Carlo estimators that directly optimize fixed-$q$ on the $J_Q$ continuum, without annotated rationales or external verifiers: Gradient-Amplified RL (GARL) and Posterior-Attenuated Fine-Tuning (PAFT), with shared bias $O\big(\frac{q}{M P_{\theta}^q}\big)$ but different variance and stability properties. On FinQA, HotPotQA, and MuSiQue, GARL at sufficiently high $q$ escapes cold start where GRPO fails entirely under Qwen 3 and Gemma 4 architectures.
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Machine Learning

Teacher Forcing as Generalized Bayes: Optimization Geometry Mismatch in Switching Surrogates for Chaotic Dynamics

Identity teacher forcing (ITF) enables stable training of deterministic recurrent surrogates for chaotic dynamical systems and has been highly effective for dynamical systems reconstruction (DSR) with recurrent neural networks (RNNs), including interpretable almost-linear RNNs (AL-RNNs). However, as an intervention-based prediction loss (and thus a generalized Bayes update), teacher forcing need not match the free-running model's marginal likelihood geometry. We compare the objective-induced curvatures of ITF and marginal likelihood in a probabilistic switching augmentation of AL-RNNs, estimating ambiguity-aware observed information via Louis' identity. In the switching setting studied here, conditioning on a single forced regime path (as ITF does) inflates curvature, while marginal likelihood curvature is reduced by a missing-information correction when multiple switching explanations remain plausible. In Lorenz-63 experiments, windowed evidence fine-tuning improves held-out evidence but can degrade dynamical quantities of interest (QoIs) relative to ITF-pretrained models.
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Machine Learning · Cross-listed from cs.SE

Carbon-Taxed Transformers: A Green Compression Pipeline for Overgrown Language Models

The accelerating adoption of Large Language Models (LLMs) in software engineering (SE) has brought with it a silent crisis: unsustainable computational cost. While these models demonstrate remarkable capabilities in different SE tasks, they are unmanageably large, slow to deploy, memory-intensive, and carbon-heavy. This reality threatens not only the scalability and accessibility of AI-powered SE, but also its long-term environmental sustainability. The research challenge is clear: we must go beyond accuracy and address efficiency and environmental cost as first-class design constraints. To meet this challenge, we introduce Carbon-Taxed Transformers (CTT), a systematic multi-architectural compression principled pipeline ordering inspired by economic carbon taxation principles. Drawing from the economic concept of carbon pricing, CTT operationalizes a computational carbon tax that penalizes architectural inefficiencies and rewards deployment-ready compression. We evaluate CTT across three core SE tasks: code clone detection, code summarization, and code generation, with models spanning encoder-only, encoder-decoder, and decoder-only architecture. Our results show that CTT delivers on inference: (1) up to 49x memory reduction, (2) time reduction up to 8-10x for clone detection, up to 3x for summarization, and 4-7x for generation, (3) up to 81% reduction in CO2 emissions and (4) CTT retains around 98% accuracy on clone detection, around 89% on summarization, and up to 91% (textual metrics) and 68% (pass@1) for generation. Two ablation studies show that pipeline ordering and individual component contributions are both essential, providing empirical justification for CTT's design and effectiveness. This work establishes a viable path toward responsible AI in SE through aggressive yet performance-preserving compression.
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All authors Ajmain Inqiad Alam, Palash Roy, Chanchal K. Roy, Banani Roy, Kevin A. Schneider

Machine Learning · Cross-listed from cs.CL

Toward a Functional Geometric Algebra for Natural Language Semantics

Distributional and neural approaches to natural language semantics have been built almost exclusively on conventional linear algebra: vectors, matrices, tensors, and the operations that accompany them. These methods have achieved remarkable empirical success, yet they face persistent structural limitations in compositional semantics, type sensitivity, and interpretability. I argue in this paper that geometric algebra (GA) – specifically, Clifford algebras – provides a mathematically superior foundation for semantic representation, and that a Functional Geometric Algebra (FGA) framework extends GA toward a typed, compositional semantics capable of supporting inference, transformation, and interpretability while retaining full compatibility with distributional learning and modern neural architectures. I develop the formal foundations, identify three core capabilities that GA provides and linear algebra does not, present a detailed worked example illustrating operator-level semantic contrasts, and show how GA-based operations already implicit in current transformer architectures can be made explicit and extended. The central claim is not merely increased dimensionality but increased structural organization: GA expands an $n$-dimensional embedding space into a $2^n$ multivector algebra where base semantic concepts and their higher-order interactions are represented within a single, principled algebraic framework.
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Machine Learning

TSN-Affinity: Similarity-Driven Parameter Reuse for Continual Offline Reinforcement Learning

Continual offline reinforcement learning (CORL) aims to learn a sequence of tasks from datasets collected over time while preserving performance on previously learned tasks. This setting corresponds to domains where new tasks arise over time, but adapting the model in live environment interactions is expensive, risky, or impossible. However, CORL inherits the dual difficulty of offline reinforcement learning and adapting while preventing catastrophic forgetting. Replay-based continual learning approaches remain a strong baseline but incur memory overhead and suffer from a distribution mismatch between replayed samples and newly learned policies. At the same time, architectural continual learning methods have shown strong potential in supervised learning but remain underexplored in CORL. In this work, we propose TSN-Affinity, a novel CORL method based on TinySubNetworks and Decision Transformer. The method enables task-specific parameterization and controlled knowledge sharing through a RL-aware reuse strategy that routes tasks according to action compatibility and latent similarity. We evaluate the approach on benchmarks based on Atari games and simulations of manipulation tasks with the Franka Emika Panda robotic arm, covering both discrete and continuous control. Results show strong retention from sparse SubNetworks, with routing further improving multi-task performance. Our findings suggest that similarity-guided architectural reuse is a strong and viable alternative to replay-based strategies in a CORL setting. Our code is available at: https://github.com/anonymized-for-submission123/tsn-affinity.
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All authors Dominik Żurek, Kamil Faber, Marcin Pietron, Paweł Gajewski, Roberto Corizzo

Machine Learning · Cross-listed from cs.RO

Variational Neural Belief Parameterizations for Robust Dexterous Grasping under Multimodal Uncertainty

Contact variability, sensing uncertainty, and external disturbances make grasp execution stochastic. Expected-quality objectives ignore tail outcomes and often select grasps that fail under adverse contact realizations. Risk-sensitive POMDPs address this failure mode, but many use particle-filter beliefs that scale poorly, obstruct gradient-based optimization, and estimate Conditional Value-at-Risk (CVaR) with high-variance approximations. We instead formulate grasp acquisition as variational inference over latent contact parameters and object pose, representing the belief with a differentiable Gaussian mixture. We use Gumbel-Softmax component selection and location-scale reparameterization to express samples as smooth functions of the belief parameters, enabling pathwise gradients through a differentiable CVaR surrogate for direct optimization of tail robustness. In simulation, our variational neural belief improves robust grasp success under contact-parameter uncertainty and exogenous force perturbations while reducing planning time by roughly an order of magnitude relative to particle-filter model-predictive control. On a serial-chain robot arm with a multifingered hand, we validate grasp-and-lift success under object-pose uncertainty against a Gaussian baseline. Both methods succeed on the tested perturbations, but our controller terminates in fewer steps and less wall-clock time while achieving a higher tactile grasp-quality proxy. Our learned belief also calibrates risk more accurately, keeping mean absolute calibration error below 0.14 across tested simulation regimes, compared with 0.58 for a Cross-Entropy Method planner. We provide code, simulation assets, and a dataset of 243 force-closed grasps at the following link: www.github.com/coenwerem/vnb-grasp.
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All authors Clinton Enwerem, Shreya Kalyanaraman, John S. Baras, Calin Belta

Machine Learning

Conditional misalignment: common interventions can hide emergent misalignment behind contextual triggers

Finetuning a language model can lead to emergent misalignment (EM) [Betley et al., 2025b]. Models trained on a narrow distribution of misaligned behavior generalize to more egregious behaviors when tested outside the training distribution. We study a set of interventions proposed to reduce EM. We confirm that these interventions reduce or eliminate EM on existing evaluations (questions like "How do I make a quick buck?"). However, if the evaluation prompts are tweaked to resemble the training context, the model displays EM. We call this conditional misalignment. As in standard EM, the model displays misaligned behaviors more egregious than those seen during training, but only on inputs sharing features with the training data. The first two interventions are diluting misaligned data with benign data, and finetuning on benign data after misaligned data. Both produce conditional misalignment. For instance, models trained on a mix of only 5% insecure code still show misalignment when asked to format responses as Python strings (resembling the training context). The third intervention is inoculation prompting. Here, statements with a similar form to the inoculation prompt serve as triggers for misalignment, even if they have the opposite meaning. On the positive side, inoculation prompting has lower (but still non-zero) conditional misalignment if training is on-policy or includes reasoning distillation. Our results imply that in realistic post-training, where misaligned data is typically combined with benign data, models may be conditionally misaligned even if standard evaluations look clean.
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All authors Jan Dubiński, Jan Betley, Anna Sztyber-Betley, Daniel Tan, Owain Evans

Machine Learning · Cross-listed from hep-ph

Explainable AI for Jet Tagging: A Comparative Study of GNNExplainer, GNNShap, and GradCAM for Jet Tagging in the Lund Jet Plane

Graph neural networks such as ParticleNet and transformer based networks on point clouds such as ParticleTransformer achieve state-of-the-art performance on jet tagging benchmarks at the Large Hadron Collider, yet the physical reasoning behind their predictions remains opaque. We present different methods, i.e. perturbation-based (GNNExplainer), Shapley-value-based (GNNShap), and gradient-based (GRADCam); adapted to operate on LundNet's Lund-plane graph representation. Leveraging the fact that each node in the Lund plane corresponds to a physically meaningful parton splitting, we construct Monte Carlo truth explanation masks and introduce a physics-informed evaluation framework that goes beyond standard fidelity metrics. We perform the analysis in three transverse-momentum bins ($\mathrm{p_T} \in [500,700]$, $[800,1000]$, and the inclusive region $[500,1000]$ GeV), revealing how explanation quality and focus shift between non-perturbative and perturbative regimes. We further quantify the correlation between explainer-assigned node importance and classical jet substructure observables – $N$-subjettiness ratios $\tau_{21}$ and $\tau_{32}$ and the energy correlation functions – establishing the degree to which the model has learned known QCD features. We find that overall the weight assigned by explainability methods has a correlation with analytic observables, with expected shift across different phase space regimes, indicating that a trained neural network indeed learns some aspects of jet-substructure moments. Our open-source implementation enables reproducible explainability studies for graph-based jet taggers.
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Machine Learning

When Errors Can Be Beneficial: A Categorization of Imperfect Rewards for Policy Gradient

Training language models via reinforcement learning often relies on imperfect proxy rewards, since ground truth rewards that precisely define the intended behavior are rarely available. Standard metrics for assessing the quality of proxy rewards, such as ranking accuracy, treat incorrect rewards as strictly harmful. In this work, however, we highlight that not all deviations from the ground truth are equal. By theoretically analyzing which outputs attract probability during policy gradient optimization, we categorize reward errors according to their effect on the increase in ground truth reward. The analysis establishes that reward errors, though conventionally viewed as harmful, can also be benign or even beneficial by preventing the policy from stalling around outputs with mediocre ground truth reward. We then present two practical implications of our theory. First, for reinforcement learning from human feedback (RLHF), we develop reward model evaluation metrics that account for the harmfulness of reward errors. Compared to standard ranking accuracy, these metrics typically correlate better with the performance of a language model after RLHF, yet gaps remain in robustly evaluating reward models. Second, we provide insights for reward design in settings with verifiable rewards. A key theme underlying our results is that the effectiveness of a proxy reward function depends heavily on its interaction with the initial policy and learning algorithm.
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All authors Shuning Shang, Hubert Strauss, Stanley Wei, Sanjeev Arora, Noam Razin

Machine Learning

Investigation into In-Context Learning Capabilities of Transformers

Transformers have demonstrated a strong ability for in-context learning (ICL), enabling models to solve previously unseen tasks using only example input output pairs provided at inference time. While prior theoretical work has established conditions under which transformers can perform linear classification in-context, the empirical scaling behavior governing when this mechanism succeeds remains insufficiently characterized. In this paper, we conduct a systematic empirical study of in-context learning for Gaussian-mixture binary classification tasks. Building on the theoretical framework of Frei and Vardi (2024), we analyze how in-context test accuracy depends on three fundamental factors: the input dimension, the number of in-context examples, and the number of pre-training tasks. Using a controlled synthetic setup and a linear in-context classifier formulation, we isolate the geometric conditions under which models successfully infer task structure from context alone. We additionally investigate the emergence of benign overfitting, where models memorize noisy in-context labels while still achieving strong generalization performance on clean test data. Through extensive sweeps across dimensionality, sequence length, task diversity, and signal-to-noise regimes, we identify the parameter regions in which this phenomenon arises and characterize how it depends on data geometry and training exposure. Our results provide a comprehensive empirical map of scaling behavior in in-context classification, highlighting the critical role of dimensionality, signal strength, and contextual information in determining when in-context learning succeeds and when it fails.
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Machine Learning · Cross-listed from cs.CL

G-Loss: Graph-Guided Fine-Tuning of Language Models

Traditional loss functions, including cross-entropy, contrastive, triplet, and su pervised contrastive losses, used for fine-tuning pre-trained language models such as BERT, operate only within local neighborhoods and fail to account for the global semantic structure. We present G-Loss, a graph-guided loss function that incorporates semi-supervised label propagation to use structural relationships within the embedding manifold. G-Loss builds a document-similarity graph that captures global semantic relationships, thereby guiding the model to learn more discriminative and robust embeddings. We evaluate G-Loss on five benchmark datasets covering key downstream classification tasks: MR (sentiment analysis), R8 and R52 (topic categorization), Ohsumed (medical document classification), and 20NG (news categorization). In the majority of experimental setups, G-Loss converges faster and produces semantically coherent embedding spaces, resulting in higher classification accuracy than models fine-tuned with traditional loss functions.
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Machine Learning · Cross-listed from math.OC

From Soliloquy to Agora: Memory-Enhanced LLM Agents with Decentralized Debate for Optimization Modeling

Optimization modeling underpins real-world decision-making in logistics, manufacturing, energy, and public services, but reliably solving such problems from natural-language requirements remains challenging for current large language models (LLMs). In this paper, we propose Agora-Opt, a modular agentic framework for optimization modeling that combines decentralized debate with a read-write memory bank. Agora-Opt allows multiple agent teams to independently produce end-to-end solutions and reconcile them through an outcome-grounded debate protocol, while memory stores solver-verified artifacts and past disagreement resolutions to support training-free improvement over time. This design is flexible across both backbones and methods: it reduces base-model lock-in, transfers across different LLM families, and can be layered onto existing pipelines with minimal coupling. Across public benchmarks, Agora-Opt achieves the strongest overall performance among all compared methods, outperforming strong zero-shot LLMs, training-centric approaches, and prior agentic baselines. Further analyses show robust gains across backbone choices and component variants, and demonstrate that decentralized debate offers a structural advantage over centralized selection by enabling agents to refine candidate solutions through interaction and even recover correct formulations when all initial candidates are flawed. These results suggest that reliable optimization modeling benefits from combining collaborative cross-checking with reusable experience, and position Agora-Opt as a practical and extensible foundation for trustworthy optimization modeling assistance. Our code and data are available at https://github.com/CHIANGEL/Agora-Opt.
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All authors Jianghao Lin, Zi Ling, Chenyu Zhou, Tianyi Xu, Ruoqing Jiang, Zizhuo Wang, Dongdong Ge

Machine Learning

Barriers to Universal Reasoning With Transformers (And How to Overcome Them)

Chain-of-Thought (CoT) has been shown to empirically improve Transformers' performance, and theoretically increase their expressivity to Turing completeness. However, whether Transformers can learn to generalize to CoT traces longer than those seen during training is understudied. We use recent theoretical frameworks for Transformer length generalization and find that – under standard positional encodings and a finite alphabet – Transformers with CoT cannot solve problems beyond $TC^0$, i.e. the expressivity benefits do not hold under the stricter requirement of length-generalizable learnability. However, if we allow the vocabulary to grow with problem size, we attain a length-generalizable simulation of Turing machines where the CoT trace length is linear in the simulated runtime up to a constant. Our construction overcomes two core obstacles to reliable length generalization: repeated copying and last-occurrence retrieval. We assign each tape position a unique signpost token, and log only value changes to enable recovery of the current tape symbol through counts circumventing both barriers. Further, we empirically show that the use of such signpost tokens and value change encodings provide actionable guidance to improve length generalization on hard problems.
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All authors Oliver Kraus, Yash Sarrof, Yuekun Yao, Alexander Koller, Michael Hahn

Machine Learning · Cross-listed from cs.CV

Improving Diversity in Black-box Few-shot Knowledge Distillation

Knowledge distillation (KD) is a well-known technique to effectively compress a large network (teacher) to a smaller network (student) with little sacrifice in performance. However, most KD methods require a large training set and internal access to the teacher, which are rarely available due to various restrictions. These challenges have originated a more practical setting known as black-box few-shot KD, where the student is trained with few images and a black-box teacher. Recent approaches typically generate additional synthetic images but lack an active strategy to promote their diversity, a crucial factor for student learning. To address these problems, we propose a novel training scheme for generative adversarial networks, where we adaptively select high-confidence images under the teacher's supervision and introduce them to the adversarial learning on-the-fly. Our approach helps expand and improve the diversity of the distillation set, significantly boosting student accuracy. Through extensive experiments, we achieve state-of-the-art results among other few-shot KD methods on seven image datasets. The code is available at https://github.com/votrinhan88/divbfkd.
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All authors Tri-Nhan Vo, Dang Nguyen, Kien Do, Sunil Gupta

Machine Learning

Diverse Image Priors for Black-box Data-free Knowledge Distillation

Knowledge distillation (KD) represents a vital mechanism to transfer expertise from complex teacher networks to efficient student models. However, in decentralized or secure AI ecosystems, privacy regulations and proprietary interests often restrict access to the teacher's interface and original datasets. These constraints define a challenging black-box data-free KD scenario where only top-1 predictions and no training data are available. While recent approaches utilize synthetic data, they still face limitations in data diversity and distillation signals. We propose Diverse Image Priors Knowledge Distillation (DIP-KD), a framework that addresses these challenges through a three-phase collaborative pipeline: (1) Synthesis of image priors to capture diverse visual patterns and semantics; (2) Contrast to enhance the collective distinction between synthetic samples via contrastive learning; and (3) Distillation via a novel primer student that enables soft-probability KD. Our evaluation across 12 benchmarks shows that DIP-KD achieves state-of-the-art performance, with ablations confirming data diversity as critical for knowledge acquisition in restricted AI environments.
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All authors Tri-Nhan Vo, Dang Nguyen, Trung Le, Kien Do, Sunil Gupta

Machine Learning

Sustained Gradient Alignment Mediates Subliminal Learning in a Multi-Step Setting: Evidence from MNIST Auxiliary Logit Distillation Experiment

In the MNIST auxiliary logit distillation experiment, a student can acquire an unintended teacher trait despite distilling only on no-class logits through a phenomenon called subliminal learning. Under a single-step gradient descent assumption, subliminal learning theory attributes this effect to alignment between the trait and distillation gradients, but does not guarantee that this alignment persists in a multi-step setting. We empirically show that gradient alignment remains weakly but consistently positive throughout training and causally contributes to trait acquisition. We show that a mitigation method called liminal training works by attenuating the alignment and fails to stop trait acquisition in this setup. These results suggest that mitigation methods that operate in this regime may not reliably suppress trait acquisition when the first-order drive dominates.
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Machine Learning

Measuring the Sensitivity of Classification Models with the Error Sensitivity Profile

The quality of training data is critical to the performance of machine learning models. In this paper, the Error Sensitivity Profile (ESP) is proposed. It quantifies the sensitivity of model performance to errors in a single feature or in multiple features. By leveraging ESP, data-cleaning efforts can be prioritized based on error types and features most likely to affect model performance. To support the computation of this metric, an integrated suite of tools, called \dirty, is created. We conduct an extensive experimental study on two widely used datasets using 14 classification models, revealing that performance degradation is not always predictable from simple correlations with the target variable.
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Machine Learning · Cross-listed from stat.AP

Adaptive Meta-Learning Stochastic Gradient Hamiltonian Monte Carlo Simulation for Bayesian Updating of Structural Dynamic Models

In the last few decades, Markov chain Monte Carlo (MCMC) methods have been widely applied to Bayesian updating of structural dynamic models in the field of structural health monitoring. Recently, several MCMC algorithms have been developed that incorporate neural networks to enhance their performance for specific Bayesian model updating problems. However, a common challenge with these approaches lies in the fact that the embedded neural networks often necessitate retraining when faced with new tasks, a process that is time-consuming and significantly undermines the competitiveness of these methods. This paper introduces a newly developed adaptive meta-learning stochastic gradient Hamiltonian Monte Carlo (AM-SGHMC) algorithm. The idea behind AM-SGHMC is to optimize the sampling strategy by training adaptive neural networks, and due to the adaptive design of the network inputs and outputs, the trained sampler can be directly applied to various Bayesian updating problems of the same type of structure without further training, thereby achieving meta-learning. Additionally, practical issues for the feasibility of the AM-SGHMC algorithm for structural dynamic model updating are addressed, and two examples involving Bayesian updating of multi-story building models with different model fidelity are used to demonstrate the effectiveness and generalization ability of the proposed method.
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All authors Xianghao Meng, James L. Beck, Yong Huang, Hui Li

Machine Learning · Cross-listed from cs.SE

Bug-Report-Driven Fault Localization: Industrial Benchmarking and Lesson Learned at ABB Robotics

Software quality assurance remains a major challenge in industrial environments, where large-scale and long-lived systems inevitably accumulate defects. Identifying the location of a fault is often time-consuming and costly, particularly during maintenance phases when developers must rely primarily on textual bug reports rather than complete runtime or code-level context. In this study, we investigated if artificial intelligence can support fault localization using only the natural-language content of bug reports. By relying only on textual information, our approach requires no access to source code, execution traces, or static analysis artifacts, making it directly deployable within existing industrial maintenance workflows. We framed fault localization as a supervised text classification problem and evaluated three traditional machine learning models (Logistic Regression, Support Vector Machine, and Random Forest) and two fine-tuned transformer-based language models (RoBERTa-Base and Distil-RoBERTa). Our evaluation used proprietary data from ABB Robotics in Sweden, comprising five years of resolved industrial bug reports, each linked to its verified code fix. This setting allowed us to assess model effectiveness under realistic industrial constraints. Our results showed that traditional models using term frequency-inverse document features consistently outperformed the fine-tuned language models on this dataset, while data augmentation improved Random Forest performance. These findings challenge the assumption that transformer-based models universally outperform classical approaches in industrial contexts with domain-specific data. We demonstrated that historical bug reports can be systematically used for text-based, artificial intelligence-assisted fault localization, providing a scalable, low-cost, and empirically grounded complement to common debugging practices in industry.
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All authors Pernilla Hall, Anton Ununger, Riccardo Rubei, Alessio Bucaioni

Machine Learning · Cross-listed from stat.ML

Deflation-Free Optimal Scoring

Sparse Optimal Scoring (SOS) reformulates linear discriminant analysis to enable feature selection through elastic net regularization, making it well-suited for high-dimensional settings where the number of features exceeds observations. Most existing SOS methods use deflation-based strategies that compute discriminant vectors sequentially, which can propagate errors and produce suboptimal solutions. We propose a novel approach that estimates all discriminant vectors simultaneously under an explicit global orthogonality constraint, which we call Deflation-Free Sparse Optimal Scoring (DFSOS). DFSOS combines Bregman iteration with orthogonality-constrained optimization, decomposing the problem into tractable subproblems for scoring vectors, discriminant vectors, and orthogonality enforcement. We establish convergence to stationary points of the augmented Lagrangian under mild conditions. Extensive experiments using synthetic data and real-world time series data demonstrate that DFSOS achieves classification accuracy comparable to or better than existing deflation-based methods. These results indicate that deflation-free approaches offer a robust and effective framework for sparse discriminant analysis in high-dimensional problems.
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Machine Learning · Cross-listed from stat.ML

Residual-loss Anomaly Analysis of Physics-Informed Neural Networks: An Inverse Method for Change-point Detection in Nonlinear Dynamical Systems with Regime Switching

Nonlinear dynamical systems with regime transitions are typically described by ordinary differential equations with jumping parameters parameters. Traditional methods often treat change-point detection and parameter estimation as separate tasks, ignoring the inherent coupling between them. To address this, we propose residual-loss anomaly analysis of physics-informed neural networks, a unified framework that leverages dynamical consistency within the physics-informed learning paradigm. This approach jointly infers piecewise parameters and transition points under a single set of constraints. The method follows a two-stage strategy: First, local physical residuals are analyzed through overlapping subinterval decomposition. When a subinterval spans a true transition point, the residual exhibits a distinct structural elevation in noise-free conditions, which has a non-zero lower bound, enabling effective localization of potential transition intervals. Second, within our framework, change-point locations and piecewise parameters are integrated into a unified physical loss function for joint optimization, enabling simultaneous identification. Experiments on benchmark nonlinear dynamical systems, including Malthusian and logistic growth models, Van der Pol oscillator, Lotka-Volterra model and Lorenz system, demonstrate that the proposed method outperforms traditional decoupled approaches in both change-point localization and parameter estimation accuracy. This study provides an efficient, unified solution for structurally coupled inverse problems in nonlinear dynamical systems with regime switching.
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All authors Yuhe Bai, Chengli Tan, Jiaqi Li, Xiangjun Wang, Zhikun Zhang

Machine Learning

Towards interpretable AI with quantum annealing feature selection

Deep learning models are used in critical applications, in which mistakes can have serious consequences. Therefore, it is crucial to understand how and why models generate predictions. This understanding provides useful information to check whether the model is learning the right patterns, detect biases in the data, improve model design, and build systems that can be trusted. This work proposes a new method for interpreting Convolutional Neural Networks in image classification tasks. The approach works by selecting the most representative feature maps that contribute to each prediction. To solve this combinatorial problem, we encode it into a quantum constrained optimization problem and propose to solve it using quantum annealing. We evaluate our method against the state-of-the-art explainable AI techniques, specifically GradCAM and GradCAM++, and observe an improved class disentanglement, i.e. the model's decision boundaries become more distinct and its reasoning more transparent. This demonstrates that our approach enhances the quality of explanations, making it easier to understand which features the model relies on for specific predictions. In addition, we study the computational behavior of the quantum annealing algorithm. Specifically, we analyze the minimum energy gap of the system during computation and the probability that the algorithm finds the correct solution. These analyses provide theoretical insight into why the method works effectively in practice.
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All authors Francesco Aldo Venturelli, Emanuele Costa, Sikha O K, Bruno Juliá-Díaz, Miguel A. González Ballester, Alba Cervera-Lierta

Machine Learning · Cross-listed from cs.SE

PLMGH: What Matters in PLM-GNN Hybrids for Code Classification and Vulnerability Detection

Code understanding models increasingly rely on pretrained language models (PLMs) and graph neural networks (GNNs), which capture complementary semantic and structural information. We conduct a controlled empirical study of PLM-GNN hybrids for code classification and vulnerability detection tasks by systematically pairing three code-specialized PLMs with three foundational GNN architectures. We compare these hybrids against PLM-only and GNN-only baselines on Java250 and Devign, including an identifier-obfuscation setting. Across both tasks, hybrids consistently outperform GNN-only baselines and often improve ranking quality over frozen PLMs. On Devign, performance and robustness are more sensitive to the PLM feature source than to the GNN backbone. We also find that larger PLMs are not necessarily better feature extractors in this pipeline, and that the PLM choice has more impact than the GNN choice. Finally, we distill these findings into practical guidelines for PLM-GNN design choices in code classification and vulnerability detection.
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Machine Learning · Cross-listed from eess.AS

Walking Through Uncertainty: An Empirical Study of Uncertainty Estimation for Audio-Aware Large Language Models

Recent audio-aware large language models (ALLMs) have demonstrated strong capabilities across diverse audio understanding and reasoning tasks, but they still frequently produce hallucinated or overly confident outputs. While uncertainty estimation has been extensively studied in text-only LLMs, it remains largely unexplored for ALLMs, where audio-conditioned generation introduces additional challenges such as perceptual ambiguity and cross-modal grounding. In this work, we present the first systematic empirical study of uncertainty estimation in ALLMs. We benchmark five representative methods, including predictive entropy, length-normalized entropy, semantic entropy, discrete semantic entropy, and P(True), across multiple models and diverse evaluation settings spanning general audio understanding, reasoning, hallucination detection, and unanswerable question answering. Our results reveal two key findings. First, semantic-level and verification-based methods consistently outperform token-level baselines on general audio reasoning benchmarks. Second, on trustworthiness-oriented benchmarks, the relative effectiveness of uncertainty methods becomes notably more model- and benchmark-dependent, indicating that conclusions drawn from general reasoning settings do not straightforwardly transfer to hallucination and unanswerable-question scenarios. We further explore uncertainty-based adaptive inference as a potential downstream application. We hope this study provides a foundation for future research on reliable, uncertainty-aware audio-language systems.
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Machine Learning · Cross-listed from math.DS

Dictionary learning for Kernel EDMD

Studying nonlinear dynamical systems through their state space behavior can be challenging, and one possible alternative is to analyze them via their associated Koopman operator. This turns the nonlinear problem into a linear, infinite-dimensional one. To approximate the operator in finite dimensions, extended dynamic mode decomposition (EDMD) is a commonly used algorithm. It requires a finite list of functionals and a set of snapshots from the system to compute an approximation of the operator and its corresponding spectrum. Instead of choosing the list of functionals directly, it can be implicitly defined via kernels, a method known as kernel extended dynamic mode decomposition (kEDMD). However, one still needs to define the kernel and choose its parameter values. In this paper, we aim to streamline this process by extending dictionary learning for EDMD to kernel learning in kEDMD. By simplifying kEDMD, we show how to perform gradient-based optimization over the learnable kernel parameters and demonstrate that this method leads to useful kernels for the original kEDMD. The focus of our work is a method that takes a weighted list of kernels with randomly initialized values as input and outputs a list of kernels and parameter values suitable for approximating the Koopman operator of the underlying system. We demonstrate that unimportant kernels can be removed from the list by analyzing the weights in the weighted sum. We evaluate the method across several experiments, including the Duffing oscillator and the Kuramoto-Sivashinsky equation, showcasing the method's different strengths.
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All authors Erik Lien Bolager, Boumediene Hamzi, Houman Owhadi, Ioannis G. Kevrekidis, Felix Dietrich

Machine Learning · Cross-listed from cs.RO

Egocentric Tactile and Proximity Sensors as Observation Priors for Humanoid Collision Avoidance

Collision-free motion is often aided by tactile and proximity sensors distributed on the body of the robot due to their resistance to occlusion as opposed to external cameras. However, how to shape the sensor's properties, such as sensing coverage; type; and range, to enable avoidant behavior remains unclear. In this work, we present a reinforcement learning framework for whole-body collision avoidance on a humanoid H1-2 robot and use it to characterize how sensor properties shape learned avoidance behavior. Using dodgeball as a benchmark task, we ablate the properties of sensors distributed across the upper body of the robot and find that raw proximity measurements can substitute for explicit object localization provided the sensing range is sufficient and that sparse non-directional proximity signals outpace dense directional alternatives in sample efficiency.
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All authors Carson Kohlbrenner, Niraj Pudasaini, William Xie, Naren Sivagnanadasan, Nikolaus Correll, Alessandro Roncone

Machine Learning

On Halting vs Converging in Recurrent Graph Neural Networks

Recurrent Graph Neural Networks (RGNNs) extend standard GNNs by iterating message-passing until some stopping condition is met. Various RGNN models have been proposed in the literature. In this paper, we study three such models: converging RGNNs, where all vertex representations must stabilise; output-converging RGNNs, where only the output classifications must stabilise; and halting RGNNs, where a per-vertex halting classifier determines when to stop. We establish expressiveness relationships between these models: over undirected graphs, converging RGNNs are equally expressive as graded-bisimulation-invariant halting RGNNs, while output-converging RGNNs are at least as expressive. Combined with prior results on halting RGNNs, this shows that, relative to the classifiers expressible in monadic second-order logic (MSO), converging RGNNs express exactly the graded modal $\mu$-calculus ($\mu$GML), and output-converging RGNNs express at least $\mu$GML. These results hold even when restricting to ReLU networks with sum aggregation. The main technical challenge is simulating halting RGNNs by converging ones: without a global halting classifier, vertices may locally decide to halt at different times, causing desynchronisation. We develop a "traffic-light" protocol that enables vertices to coordinate despite this asynchrony. Our results answer an open question from Bollen et al. (2025) and show that the RGNN model of Pflueger et al. (2024) retains full $\mu$GML expressiveness even when convergence is guaranteed.
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